(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HYM
File name: alatis_output_compound.sdf
|
Formula: C11Cl2H9N5O2 Compound mass: 314.12710000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| HYM | 1ZLT |
| DBQ | 1Z57 2C3J 2CN8 1U4D |
| MB0 | |
| 7CP | 3CXW 3BHY |
| TRQ | 2H47 2YMW 2H3X 2AGL 2HKM 6UBR 1MG2 4L3G 1JJU 6UFQ 2IUP 3WEV 3C75 2HJ4 3SWS 6BYW 2GC7 1JMZ 2J55 2AH1 2BBK 2GC4 2HJB 3WEU 4FA1 6UC1 2AGX 2OJY 2OIZ 2AGZ 1MDA 2Q7Q 3L4O 2AGY 2MTA 2IUQ 1JMX 2IAA 2AH0 2MAD 6UBZ 2HKR |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.